Compound Detail
CHEMBL5197514
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Cc1cc(-c2ccn3nc(N)c(C(=O)N[C@H]4CC[C@@](C)(O)CC4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL5197514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGFFIKTUXPKKAT-QINQMWDZSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
3.46
ALogP
7
HBA
3
HBD
125.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.32 | 7.655 | 4.8 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.33 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 4.8 | nM | 8.32 | Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated fo... | 34672584 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 102.0 | nM | 6.99 | Inhibition of PI3Kgamma (unknown origin) in rhMPC1 stimulated human THP-1 cells ... | 34672584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34672584 | 10.1021/acs.jmedchem.1c01153 | ADMET | 3 |
| 34672584 | 10.1021/acs.jmedchem.1c01153 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| 34672584 | 10.1021/acs.jmedchem.1c01153 | Unchecked | 2 |
| 34672584 | 10.1021/acs.jmedchem.1c01153 | Cytochrome P450 3A4 | 1 |
| 34672584 | 10.1021/acs.jmedchem.1c01153 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 34672584 | 10.1021/acs.jmedchem.1c01153 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine